775-16-6

Basic information

• Product Name: 1-Benzyl-3-pyrrolidinone
• Synonyms: 1-BENZYL-3-PYRROLIDINONE;1-BENZYL-3-PYRROLIDONE;1-BENZYLPYRROLIDIN-3-ONE;1-(PHENYLMETHYL)-3-PYRROLIDINONE;N-BENZYL-3-PYRROLIDONE;N-BeNzyl-3-pyrrolidiNoNe;5 N-Benzyl-3-Pyrrolidone;1-BENZLY-3-PYRROLIDONE
• CAS NO: 775-16-6
• Molecular Formula: C₁₁H₁₃NO
• Molecular Weight: 175.23
• EINECS: 212-274-0
• Product Categories: Amines and Anilines;Carbonyl Compounds;Pyrrole&Pyrrolidine&Pyrroline;Building Blocks;Heterocyclic Building Blocks;Pyrrolidines;Pharmaceutical Intermediates;Building Blocks;C11 to C12;Chemical Synthesis;Heterocyclic Building Blocks
• Mol File: 775-16-6.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 77 °C0.01 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: White to off-white/Crystalline Powder, Crystals or Chunks
• Density: 1.091 g/mL at 25 °C(lit.)
• Vapor Pressure: 7.38E-05mmHg at 25°C
• Refractive Index: n20/D 1.539(lit.)
• Storage Temp.: 2-8°C
• PKA: 5.56±0.20(Predicted)
• BRN: 1526217
• CAS DataBase Reference: 1-Benzyl-3-pyrrolidinone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Benzyl-3-pyrrolidinone(775-16-6)
• EPA Substance Registry System: 1-Benzyl-3-pyrrolidinone(775-16-6)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37/39-24/25-36
• WGK Germany: 3
• F: 10
• HazardClass: IRRITANT, KEEP COLD
• Hazardous Substances Data: 775-16-6(Hazardous Substances Data)

Usage

Description

1-Benzyl-3-pyrrolidinone is an organic compound that serves as a versatile substrate in the synthesis of various chemical compounds, particularly in the preparation of chiral, alkenyl sulfoximines.

Uses

Used in Pharmaceutical Industry:
1-Benzyl-3-pyrrolidinone is used as a starting reagent for the synthesis of chiral, alkenyl sulfoximines, which are key intermediates in the production of highly functionalized diazabicycles. These diazabicycles have potential applications in the development of novel pharmaceuticals and therapeutic agents.
Used in Chemical Synthesis:
1-Benzyl-3-pyrrolidinone is used as a substrate in the synthesis of vinyl triflate, a valuable intermediate in organic chemistry. 1-Benzyl-3-pyrrolidinone can be further transformed into a wide range of chemical products, demonstrating the versatility of 1-Benzyl-3-pyrrolidinone in various chemical reactions and applications.

InChI:InChI=1/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2/p+1

Upstream product

• 107771-02-8 3-benzylamino-N,N-diethyl-propionamide 
• 86269-11-6 (Tributylstannyl)methyl methanesulfonate 
• 100-46-9 benzylamine 
• 155622-69-8 bromomethyl vinyl ketone 
• 775-15-5 1-benzyl-3-pyrrolidinol 
• 101385-90-4 (R)-N-benzyl-3-hydroxypyrrolidine 
• 96-42-4 pyrrolidin-3-one 
• 100-51-6 benzyl alcohol 

Downstream Products

• 23771-98-4 (±)-1-benzyl-3-phenyl-pyrrolidin-3-ol 
• 101718-60-9 1-benzyl-3-(4-methoxy-phenyl)-pyrrolidin-3-ol 
• 69079-13-6 1-Benzyl-3-triethylsilanyloxy-2,5-dihydro-1H-pyrrole 
• 69079-14-7 1-Benzyl-4-triethylsilanyloxy-2,3-dihydro-1H-pyrrole 
• 147596-36-9 C₁₉H₁₉NO₂ 
• 150543-34-3 1-benzyl-3-methylenepyrrolidine 
• 118937-13-6 1-benzyl-3-cyano-3-pyrrolidinol 
• 706-03-6 3-(benzylamino)propionitrile 
• 71916-76-2 1-benzyl-3-(2-fluorobenzyl)-3-pyrrolidinol 
• 96568-35-3 1-benzyl-3-(methylamino)pyrrolidine 
• 96567-93-0 1-benzyl-3-methylpyrrolidin-3-ol 
• 97266-84-7 5-benzyl-1-oxa-5-azaspiro[2.4]heptane 
• 1071216-81-3 3-(1-Benzyl-pyrrolidin-3-ylamino)-4-(2,2-dimethoxy-ethyl)-benzoic acid methyl ester 
• 284465-88-9 trifluoromethanesulfonic acid 1-benzyl-2,5-dihydro-1H-pyrrol-3-yl ester 

Relevant articles and documents

Synthesis method of 3-aminopyrrolidine dihydrochloride

The invention discloses a synthetic method of 3-aminopyrrolidine dihydrochloride. The synthetic method comprises the following steps: preparing benzyl-(3-ethoxy-3-alkenyl)-(1-vinyl ethoxy methyl) amine liquid; preparation of a 1-benzyl-3-pyrrolidone solution; preparation of a 1-benzyl-3-aminopyrrolidine solution; preparing a 1-benzyl-3-aminopyrrolidine salt; preparing a 3-aminopyrrolidine solution; the yield and purity of the 3-aminopyrrolidine dihydrochloride are improved by controlling the activity of the reaction main materials of each part in a segmented manner and carrying out a directional hydrogenation manner.

Preparation method of 5-benzyl-5-N spiro[2. 4]heptane-1-carboxylic acid

The invention discloses a preparation method of 5-benzyl-5-N spiro[2. 4]heptane-1-carboxylic acid. The preparation method comprises that through a series of Swern oxidation reaction, Wittig reaction, sulfur ylide reaction and hydrolysis reaction, 5-benzyl-5-N spiro[2. 4]heptane-1-carboxylic acid is prepared from 1-benzyl-3-hydroxypyrrolidine. The preparation method utilizes a reaction of the double bond and the sulfur ylide to produce the ternary ring, utilizes cheap and easily available raw materials, has mild conditions, utilizes a simple operation way and greatly improves the possibility of industrialization.

Identification of a novel class of succinyl-nitrile-based Cathepsin S inhibitors

The synthesis and in vitro activities of a series of succinyl-nitrile-based inhibitors of Cathepsin S are described. Several members of this class show nanomolar inhibition of the target enzyme as well as cellular potency. The inhibitors displaying the greatest potency contain N-alkyl substituted piperidine and pyrrolidine rings spiro-fused to the α-carbon of the P1 residue.